Geometry & MOs

Info

ID:	173705
PubChem CID:	75671973
Reduced:	ON2H10C13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	391.088316
ΔH_f, kcal/mol:	86.11
Dipole, Da:	5.6
IP(EA), eV:	-8.71(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[3-(butylamino)-3-oxoprop-1-enyl]phenyl]sulfonyl-(2-chlorophenyl)azanide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC(=O)NCC5=CC=NC=C5

DOS

IR

Vibrations